SCHEMBL25839679

SCHEMBL25839679

Cc1nncc2cc(Br)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.37
MPO P05164 2/20 0.37
GRM5 P41594 1/20 0.36
NOS1 P29475 1/20 0.36
METAP2 P50579 1/20 0.36
CSNK2A1 P68400 1/20 0.36
PLAU P00749 1/20 0.36
RXFP1 Q9HBX9 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
C1S P09871 2/20 0.35
CYP2A6 P11509 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRG2 P18507 3/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8404453 0.80 C1S (0.43) GRM5CYP1A2C1SCYP2A6ALDH1A1
SCHEMBL30493123 0.77 TLR8 (0.35) CYP1A2C1SALDH1A1HTTMEN1
SCHEMBL396021 0.77 PLAU (0.39) NOS1METAP2CSNK2A1PLAURXFP1
SCHEMBL18630335 0.77 NOS1 (0.36) NOS1C1S
SCHEMBL2858453 0.77 C1S (0.48) PLAUC1SALDH1A1HTTMEN1
SCHEMBL396312 0.77 NOS1 (0.36) NOS1METAP2CSNK2A1PLAURXFP1
SCHEMBL2459043 0.77 GABRG2 (0.40) GRM5NOS1METAP2CSNK2A1PLAU
SCHEMBL12227509 0.74 NR1I2 (0.36) C1SALDH1A1MEN1NPC1KMT2A
SCHEMBL7407975 0.73 ALDH1A1 (0.59) MPONOS1METAP2CSNK2A1PLAU
SCHEMBL31322047 0.73 GRM5 (0.44) GRM5C1SCYP2A6ALDH1A1GABRG2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702418-B2 SOS1 inhibitors Mirati Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-11702418-B2 SOS1 inhibitors Mirati Therapeutics, Inc. (US) 2023-07-18 US disclosed
EP-4076418-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-10-26 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11702418-B2 SOS1 inhibitors SOS1, SOS2, SOST CASP3 3487/4885MPO 4620/4885GRM5 3789/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.